4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid

C15H14N4O3 — CID 88907308

IUPAC4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid
SMILESCN(C)c1ccc(/N=N/c2ccc(C(=O)O)cc2N=O)cc1
InChIInChI=1S/C15H14N4O3/c1-19(2)12-6-4-11(5-7-12)16-17-13-8-3-10(15(20)21)9-14(13)18-22/h3-9H,1-2H3,(H,20,21)/b17-16+
InChIKeyBVHRMEHIPWCYFZ-WUKNDPDISA-N
MW298.30 g/mol
LogP4.26
Rot. Bonds5

About 4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid

4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid (PubChem CID 88907308) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid
PubChem CID88907308
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid
SMILESCN(C)c1ccc(/N=N/c2ccc(C(=O)O)cc2N=O)cc1
InChIInChI=1S/C15H14N4O3/c1-19(2)12-6-4-11(5-7-12)16-17-13-8-3-10(15(20)21)9-14(13)18-22/h3-9H,1-2H3,(H,20,21)/b17-16+
InChIKeyBVHRMEHIPWCYFZ-WUKNDPDISA-N
XLogP4.26
TPSA94.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

sodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 23674498
CID 69397190
CID 69397190
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one
CID 58678925
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one
CID 59751506
4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 167289773
5-(dimethylamino)-2-[(4-sulfophenyl)diazenyl]benzoic acid
CID 86059603
4-[[4-[(4-carboxyphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzoic acid
CID 177296906
4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol
CID 136714423
2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid
CID 39846636
(NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine
CID 135538380
heptyl 4-[[4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-3-fluorophenyl]diazenyl]benzoate
CID 164843023

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid (CID 88907308) is 4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid is CN(C)c1ccc(/N=N/c2ccc(C(=O)O)cc2N=O)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid?
The InChIKey is BVHRMEHIPWCYFZ-WUKNDPDISA-N. The full InChI is InChI=1S/C15H14N4O3/c1-19(2)12-6-4-11(5-7-12)16-17-13-8-3-10(15(20)21)9-14(13)18-22/h3-9H,1-2H3,(H,20,21)/b17-16+.
What are the key properties of 4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid?
4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid has a molecular weight of 298.30 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid is sourced from PubChem (CID 88907308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).